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BDBM50131934 CHEMBL126439::CHEMBL127317::Quinoline-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1

InChI Key: InChIKey=CDDVHWKFFCJTOZ-UHFFFAOYSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50131934   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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3.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
KEGG

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4.80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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6.60n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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53.2n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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67n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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83n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum Dopamine receptor D2 by [3H]spiperone displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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1.35E+3n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair